MMsINC Database Search


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MMsINC code: MMs01153528

Type: Neutral
Formula: C₂₆H₂₈N₂O

SMILES:

O=C(N(C\C=C\c1ccccc1)c1ccc(cc1)CC)Nc1ccc(cc1)CC

InChI:

InChI=1/C26H28N2O/c1-3-21-12-16-24(17-13-21)27-26(29)28(25-18-14-22(4-2)15-19-25)20-8-11-23-9-6-5-7-10-23/h5-19H,3-4,20H2,1-2H3,(H,27,29)/b11-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.9786 kcal/mol

Physical Properties
Molecular Weight: 384.523 g/mol	logS: -7.39806	SlogP: 6.56324	Reactive groups: 0

Topological Properties
Globularity: 0.0859588	Sterimol/B1: 2.32181	Sterimol/B2: 5.38792	Sterimol/B3: 5.72109
Sterimol/B4: 8.71235	Sterimol/L: 18.8696

Surface and Volume Properties
Accessible surface: 742.427	Positive charged surface: 460.121	Negative charged surface: 282.306	Volume: 410
Hydrophobic surface: 659.681	Hydrophilic surface: 82.746

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.