MMsINC Database Search


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MMsINC code: MMs03282117

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)C(C)C

InChI:

InChI=1/C24H25NO/c1-19(2)22-13-15-23(16-14-22)24(26)25(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21/h3-16,19H,17-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.137 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -6.46518	SlogP: 6.1854	Reactive groups: 0

Topological Properties
Globularity: 0.106571	Sterimol/B1: 3.68889	Sterimol/B2: 4.49922	Sterimol/B3: 6.46458
Sterimol/B4: 6.6069	Sterimol/L: 15.0563

Surface and Volume Properties
Accessible surface: 620.008	Positive charged surface: 366.317	Negative charged surface: 253.691	Volume: 366.75
Hydrophobic surface: 544.106	Hydrophilic surface: 75.902

Pharmacophoric Properties
Hydrogen bond donors: 0	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.