MMsINC Database Search


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MMsINC code: MMs03031769

Type: Neutral
Formula: C₂₇H₃₃NO

SMILES:

OC(Cc1ccccc1)(Cc1ccccc1)C(CN(CCc1ccccc1)C)C

InChI:

InChI=1/C27H33NO/c1-23(22-28(2)19-18-24-12-6-3-7-13-24)27(29,20-25-14-8-4-9-15-25)21-26-16-10-5-11-17-26/h3-17,23,29H,18-22H2,1-2H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.74 kcal/mol

Physical Properties
Molecular Weight: 387.567 g/mol	logS: -5.17754	SlogP: 5.01341	Reactive groups: 0

Topological Properties
Globularity: 0.153816	Sterimol/B1: 2.10809	Sterimol/B2: 4.57392	Sterimol/B3: 7.72993
Sterimol/B4: 8.37231	Sterimol/L: 16.2166

Surface and Volume Properties
Accessible surface: 684.798	Positive charged surface: 415.478	Negative charged surface: 269.32	Volume: 421.875
Hydrophobic surface: 665.795	Hydrophilic surface: 19.003

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.