MMsINC Database Search


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MMsINC code: MMs01886859

Type: Neutral
Formula: C₂₄H₂₀N₂O₃

SMILES:

O=C1c2c(C(=O)c3c1cccc3)c(N)ccc2NC(=O)c1c(cc(cc1C)C)C

InChI:

InChI=1/C24H20N2O3/c1-12-10-13(2)19(14(3)11-12)24(29)26-18-9-8-17(25)20-21(18)23(28)16-7-5-4-6-15(16)22(20)27/h4-11H,25H2,1-3H3,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.793 kcal/mol

Physical Properties
Molecular Weight: 384.435 g/mol	logS: -6.99763	SlogP: 4.22176	Reactive groups: 0

Topological Properties
Globularity: 0.0819822	Sterimol/B1: 4.26032	Sterimol/B2: 4.62131	Sterimol/B3: 4.74775
Sterimol/B4: 7.50767	Sterimol/L: 16.7921

Surface and Volume Properties
Accessible surface: 637.635	Positive charged surface: 382.821	Negative charged surface: 254.814	Volume: 367.125
Hydrophobic surface: 516.901	Hydrophilic surface: 120.734

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.