MMsINC Database Search


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MMsINC code: MMs00720569

Type: Neutral
Formula: C₂₃H₂₉NO

SMILES:

O=C(N(C1CCCCC1)C1CCCCC1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H29NO/c25-23(20-16-15-18-9-7-8-10-19(18)17-20)24(21-11-3-1-4-12-21)22-13-5-2-6-14-22/h7-10,15-17,21-22H,1-6,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=261.603 kcal/mol

Physical Properties
Molecular Weight: 335.491 g/mol	logS: -6.24518	SlogP: 5.9474	Reactive groups: 0

Topological Properties
Globularity: 0.129584	Sterimol/B1: 3.36832	Sterimol/B2: 3.55429	Sterimol/B3: 4.19445
Sterimol/B4: 8.40741	Sterimol/L: 15.1442

Surface and Volume Properties
Accessible surface: 571.287	Positive charged surface: 385.513	Negative charged surface: 175.265	Volume: 349.625
Hydrophobic surface: 553.286	Hydrophilic surface: 18.001

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.