MMsINC Database Search


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MMsINC code: MMs01159299

Type: Neutral
Formula: C₂₆H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1C)-c1c2c(cncc2)c(cc1)CNC(=O)c1cc(OC)ccc1

InChI:

InChI=1/C26H24N2O3/c1-17-13-18(8-10-25(17)31-3)22-9-7-20(24-16-27-12-11-23(22)24)15-28-26(29)19-5-4-6-21(14-19)30-2/h4-14,16H,15H2,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.145 kcal/mol

Physical Properties
Molecular Weight: 412.489 g/mol	logS: -6.60626	SlogP: 5.42382	Reactive groups: 0

Topological Properties
Globularity: 0.0591433	Sterimol/B1: 2.57226	Sterimol/B2: 3.042	Sterimol/B3: 6.20932
Sterimol/B4: 6.77804	Sterimol/L: 22.2445

Surface and Volume Properties
Accessible surface: 715.376	Positive charged surface: 491.078	Negative charged surface: 212.193	Volume: 409.375
Hydrophobic surface: 643.036	Hydrophilic surface: 72.34

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.