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MMsINC code: MMs02915886

Type: Neutral
Formula: C₂₇H₃₀N₂O₂

SMILES:

O(Cc1ccc(cc1)C(=O)N1CCN(CC1)Cc1ccccc1)c1cc(C)c(cc1)C

InChI:

InChI=1/C27H30N2O2/c1-21-8-13-26(18-22(21)2)31-20-24-9-11-25(12-10-24)27(30)29-16-14-28(15-17-29)19-23-6-4-3-5-7-23/h3-13,18H,14-17,19-20H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.445 kcal/mol

Physical Properties
Molecular Weight: 414.549 g/mol	logS: -6.00577	SlogP: 5.37324	Reactive groups: 0

Topological Properties
Globularity: 0.0411009	Sterimol/B1: 3.59541	Sterimol/B2: 3.73905	Sterimol/B3: 5.39849
Sterimol/B4: 7.6489	Sterimol/L: 19.8495

Surface and Volume Properties
Accessible surface: 749.354	Positive charged surface: 485.172	Negative charged surface: 264.182	Volume: 427
Hydrophobic surface: 701.843	Hydrophilic surface: 47.511

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02915887
PUBCHEM-ZINC02747897