MMsINC Database Search


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MMsINC code: MMs03139092

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

Oc1ccc(cc1C1N(CCN1Cc1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C24H26N2O/c1-19-12-13-23(27)22(16-19)24-25(17-20-8-4-2-5-9-20)14-15-26(24)18-21-10-6-3-7-11-21/h2-13,16,24,27H,14-15,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.3523 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -4.83156	SlogP: 5.34552	Reactive groups: 0

Topological Properties
Globularity: 0.164919	Sterimol/B1: 2.20217	Sterimol/B2: 2.98886	Sterimol/B3: 6.65055
Sterimol/B4: 8.63487	Sterimol/L: 16.4317

Surface and Volume Properties
Accessible surface: 630.433	Positive charged surface: 391.192	Negative charged surface: 239.241	Volume: 373.875
Hydrophobic surface: 586.36	Hydrophilic surface: 44.073

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.